MetaboT: An LLM-based Multi-Agent Framework for Interactive Analysis of Mass Spectrometry Metabolomics Knowledge

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Abstract

Mass spectrometry metabolomics generates complex data that overwhelms traditional analysis approaches. MetaboT, a multi-agent Large Language Model (LLM)-based framework, converts natural-language questions into needed SPARQL queries, enabling effective knowledge graph navigation (https://holobiomicslab.github.io/MetaboT/). We validate MetaboT’s performance on a large plant dataset with 50 representative queries. MetaboT's modular design facilitates advanced data mining, biological interpretation, and the discovery of novel compounds without specialized programming expertise.

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